V007-9698 Screening compound: 2-{[(3,5-difluorophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazole

V007-9698 Screening compound: 2-{[(3,5-difluorophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazole
V007-9698 Screening compound: 2-{[(3,5-difluorophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-9698
2-{[(3,5-difluorophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V007-9698

Molecular Formula

C25H31F2N3O3S2 (C25 H31 F2 N3 O3 S2)

Compound Name

2-{[(3,5-difluorophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazole

IUPAC name

2-{[(35-difluorophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-13-benzodiazole

SMILES

CCOCCCn1c(SCc2cc(F)cc(F)c2)nc2c1ccc(S(N1CC(C)CCC1)(=O)=O)c2

InChI

InChI=1S/C25H31F2N3O3S2/c1-3-33-11-5-10-30-24-8-7-22(35(31,32)29-9-4-6-18(2)16-29)15-23(24)28-25(30)34-17-19-12-20(26)14-21(27)13-19/h7-8,12-15,18H,3-6,9-11,16-17H2,1-2H3/t18-/m0/s1

InChI Key

YLENMSKFYXQUDK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19958594

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

523.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.688

Distribution Coefficient, logD

5.687

Water Solubility, LogSw

-5.41

Polar Surface Area

50.349

Acid Dissociation Constant (pKa)

23.86

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with V007-9698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-9698?
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What is the minimum amount of V007-9698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-9698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-9698
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V007-9698 available by request